MnO3Sm
Samarium manganite · SmMnO3
Samarium manganite is a stable, semiconducting perovskite-structured oxide utilized in catalytic research for oxygen-evolution processes.
About Samarium manganite
Samarium manganite is a semiconducting oxide that sits on the convex hull, indicating high thermodynamic stability. As a member of the perovskite-related oxide family, it is frequently investigated for its potential to facilitate electrochemical reactions, particularly in the context of oxygen-evolution catalysis.
Its electronic character makes it an interesting candidate for energy conversion technologies. By leveraging its stable crystal structure, researchers aim to optimize its performance in catalytic environments where durability and charge transport are essential for efficient chemical transformation.
Key Properties
Cross-validated computational properties for Samarium manganite, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for MnO3Sm, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.27 | 0.0000 | -8.736 | 7.27 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1996 | -8.537 | 7.12 |
| — | — | — | — | — | 7.12 |
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Applications
Where Samarium manganite is used.
Frequently Asked Questions
Common questions about Samarium manganite, answered from cross-validated data.
What is MnO3Sm?
Samarium manganite is a stable, semiconducting perovskite-structured oxide utilized in catalytic research for oxygen-evolution processes.
What is MnO3Sm used for?
What is the band gap of MnO3Sm?
Is MnO3Sm a metal, semiconductor, or insulator?
Is MnO3Sm thermodynamically stable?
What is the crystal structure of MnO3Sm?
What is the density of MnO3Sm?
How many polymorphs of MnO3Sm are known?
What elements does MnO3Sm contain?
Where does the data for MnO3Sm come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, SmMnO3 shares structural similarities with other perovskite-type oxides like LaMnO3. While LaMnO3 is a widely recognized benchmark in this category, SmMnO3 offers a unique electronic profile due to the inclusion of the lanthanide samarium, which influences its catalytic activity compared to simpler binary oxides like NiO or complex layered materials like LiCoO2.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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